4I38
Structures of IT intermediates from time-resolved laue crystallography collected at 14ID-B, APS
Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 288 |
Detector technology | CCD |
Collection date | 2008-11-17 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.96-1.30 |
Spacegroup name | P 63 |
Unit cell lengths | 66.833, 66.833, 40.947 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.600 |
R-factor | 0.239 |
Rwork | 0.237 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2phy |
RMSD bond length | 0.007 |
RMSD bond angle | 0.022 |
Data reduction software | LaueView |
Data scaling software | LaueView |
Refinement software | SHELX |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.900 |
High resolution limit [Å] | 1.600 |
Number of reflections | 14623 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 7 | 298 | 2.6M AMMONIUM SULFATE, 50MM SODIUM PHOSPHATE, pH 7.0, hanging drop, temperature 298K |